hydrazine;1,2,3-trinitrobenzene

C6H7N5O6 — CID 174855794

IUPAChydrazine;1,2,3-trinitrobenzene
SMILESNN.O=[N+]([O-])c1cccc([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C6H3N3O6.H4N2/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;1-2/h1-3H;1-2H2
InChIKeyFLPUHPQIAKKIHT-UHFFFAOYSA-N
MW245.15 g/mol
LogP0.23
Rot. Bonds3

About hydrazine;1,2,3-trinitrobenzene

hydrazine;1,2,3-trinitrobenzene (PubChem CID 174855794) has the molecular formula C6H7N5O6 and a molecular weight of 245.15 g/mol. Its IUPAC name is hydrazine;1,2,3-trinitrobenzene.

Molecular Properties

Compound Namehydrazine;1,2,3-trinitrobenzene
PubChem CID174855794
Molecular FormulaC6H7N5O6
Molecular Weight245.15 g/mol
Exact Mass245.04
IUPAC Namehydrazine;1,2,3-trinitrobenzene
SMILESNN.O=[N+]([O-])c1cccc([N+](=O)[O-])c1[N+](=O)[O-]
InChIInChI=1S/C6H3N3O6.H4N2/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;1-2/h1-3H;1-2H2
InChIKeyFLPUHPQIAKKIHT-UHFFFAOYSA-N
XLogP0.23
TPSA181.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-nitronitramide;1,2,3-trinitrobenzene
CID 175346850
1-methyl-2,3-dinitrobenzene;1,2,3-trinitrobenzene
CID 19080539
1-(2,3-dinitrophenyl)sulfanyl-2,3-dinitrobenzene
CID 54456193
1-methyl-2,3-dinitrobenzene;hydrate
CID 86587264
1,2-bis(2,3-dinitrophenyl)ethane-1,2-dione
CID 18546886
(Z)-(2,6-dinitrophenyl)-hydroxyimino-oxidoazanium
CID 135627076
N-methyl-2,3-dinitroaniline
CID 12620251
1,2-dinitro-3-propan-2-ylbenzene
CID 14670542
1-hydroperoxy-2,3-dinitrobenzene
CID 174901589
2,3-dinitrobenzonitrile;hydrochloride
CID 19591333
N-(2,3-dinitrophenyl)-N-nitronitramide
CID 54447599
2,3-dinitrophenol;2,3,4-trinitrophenol
CID 88658203

Frequently Asked Questions

What is the IUPAC name of hydrazine;1,2,3-trinitrobenzene?
The IUPAC name of hydrazine;1,2,3-trinitrobenzene (CID 174855794) is hydrazine;1,2,3-trinitrobenzene.
What is the SMILES notation for hydrazine;1,2,3-trinitrobenzene?
The canonical SMILES for hydrazine;1,2,3-trinitrobenzene is NN.O=[N+]([O-])c1cccc([N+](=O)[O-])c1[N+](=O)[O-].
What is the InChIKey of hydrazine;1,2,3-trinitrobenzene?
The InChIKey is FLPUHPQIAKKIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O6.H4N2/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;1-2/h1-3H;1-2H2.
What are the key properties of hydrazine;1,2,3-trinitrobenzene?
hydrazine;1,2,3-trinitrobenzene has a molecular weight of 245.15 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazine;1,2,3-trinitrobenzene is sourced from PubChem (CID 174855794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).